UCSF

ZINC49548546

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.78 3.18 -21.77 3 6 0 96 317.32 2
Mid Mid (pH 6-8) 0.52 1.75 -57.33 2 6 -1 99 316.312 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )